MD/QM/CSM方法计算β-环糊精及其衍生物对二甲四氯的包合机理
周玉梅, 周宝晶, 聂雪玫, 叶仁龙, 贡雪东, 朱卫华, 肖鹤鸣
A theoretical study on the microencapsulation of herbicide MCPA with native β-cyclodextrin and its derivatives by a molecular dynamics/quantum mechanics/continuum solvent model approach
ZHOU Yumei, ZHOU Baojing, NIE Xuemei, YE Renlong, GONG Xuedong, ZHU Weihua, XIAO Heming
化工进展
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2015, (12): 4185
-4190
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DOI: 10.16085/j.issn.1000-6613.2015.12.009